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Basic information
GHS | |
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Exact Mass | 439.05652 |
Smiles | BrC1=CC(C2=CN=CC(CN3CCS(=O)(=O)CC3)=C2)=CN=C1[C@@H](OC)C |
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Canonical Smiles | CO[C@@H](C)C1=NC=C(C=C1Br)C1C=C(CN2CCS(=O)(=O)CC2)C=NC=1 |
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Physicochemical Propertie | |
Inchi | InChI=1S/C18H22BrN3O3S/c1-13(25-2)18-17(19)8-16(11-21-18)15-7-14(9-20-10-15)12-22-3-5-26(23,24)6-4-22/h7-11,13H,3-6,12H2,1-2H3/t13-/m0/s1 |
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Feature | |
Useage | |
InchiKey | HTJOCEQKOSHXTN-ZDUSSCGKSA-N |
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Security information
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